#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n88 n LYS 2 N 0.00 0.24 0.00 3.17 4.76 -1.26 -4.21 118.16 120.85 1n88 n LYS 2 Ca 0.00 -0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 1n88 n LYS 2 Cb 0.00 -1.92 0.00 0.00 -1.84 0.00 0.00 35.03 31.27 1n88 n LYS 2 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 1n88 n THR 3 N 7.31 0.00 -1.45 -0.18 -1.04 -1.26 0.54 114.28 118.20 1n88 n THR 3 Ca 0.60 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 62.50 1n88 n THR 3 Cb 0.18 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.59 1n88 n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n88 n ALA 4 N 0.00 0.27 -2.65 2.41 0.00 -1.26 -3.85 120.51 115.43 1n88 n ALA 4 Ca 0.00 -1.90 -0.08 0.00 0.00 0.00 0.00 53.44 51.46 1n88 n ALA 4 Cb 0.00 -2.68 -0.02 0.00 0.00 0.00 0.00 19.45 16.75 1n88 n ALA 4 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1n88 n TYR 5 N 16.34 -0.27 -3.03 0.00 4.11 -1.13 0.25 117.16 133.44 1n88 n TYR 5 Ca 0.32 0.14 -0.13 0.00 -0.00 0.00 0.00 57.90 58.23 1n88 n TYR 5 Cb 0.47 -0.54 0.07 0.00 -0.00 0.00 0.00 39.34 39.34 1n88 n TYR 5 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 1n88 n ASP 6 N -0.23 -2.93 0.00 9.48 2.03 0.19 -4.81 116.55 120.28 1n88 n ASP 6 Ca -0.04 -0.49 0.00 0.00 0.52 0.00 0.00 54.79 54.78 1n88 n ASP 6 Cb 0.13 -4.07 0.00 0.00 -0.72 0.00 0.00 41.12 36.47 1n88 n ASP 6 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1n88 n VAL 7 N -3.25 0.00 -1.67 5.18 0.31 0.71 -4.65 118.33 114.95 1n88 n VAL 7 Ca -0.18 0.00 -0.46 0.00 -0.01 0.00 0.00 64.34 63.69 1n88 n VAL 7 Cb 0.62 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.51 1n88 n VAL 7 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1n88 n ILE 8 N 0.00 0.64 0.00 2.52 5.41 -1.26 -4.24 119.36 122.43 1n88 n ILE 8 Ca 0.00 -0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.63 1n88 n ILE 8 Cb 0.00 -2.05 0.00 0.00 -0.71 0.00 0.00 39.64 36.88 1n88 n ILE 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1n88 n LEU 9 N 6.92 0.00 -4.88 1.39 -0.00 -1.06 -4.27 117.00 115.11 1n88 n LEU 9 Ca 0.21 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.87 1n88 n LEU 9 Cb 0.34 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.70 1n88 n LEU 9 CO 0.71 0.00 -0.09 0.00 -0.00 0.00 0.00 177.39 178.01 1n88 s ALA 10 N -2.85 3.85 1.06 1.47 0.00 -1.26 -4.92 121.76 119.12 1n88 s ALA 10 Ca 0.00 -0.58 -0.16 0.00 0.00 0.00 0.00 51.96 51.22 1n88 s ALA 10 Cb 0.00 -2.05 0.23 0.00 0.00 0.00 0.00 23.12 21.30 1n88 s ALA 10 CO 0.00 0.63 1.17 -1.25 0.00 0.00 0.00 175.76 176.31 1n88 s PRO 11 N -1.41 -0.12 -0.10 0.00 0.04 -1.26 -1.31 135.00 130.83 1n88 s PRO 11 Ca 0.22 -0.05 0.02 0.00 0.04 0.00 0.00 61.00 61.23 1n88 s PRO 11 Cb -0.13 -1.72 -0.02 0.00 0.04 0.00 0.00 34.50 32.67 1n88 s PRO 11 CO 0.11 -2.98 -0.15 0.14 0.04 0.00 0.00 177.00 174.16 1n88 s VAL 12 N -3.31 2.89 -0.38 -0.36 -7.23 -0.85 -4.67 120.40 106.49 1n88 s VAL 12 Ca 0.70 -0.74 -0.12 0.00 -1.81 0.00 0.00 61.98 60.00 1n88 s VAL 12 Cb -0.10 -2.17 0.02 0.00 0.56 0.00 0.00 36.38 34.70 1n88 s VAL 12 CO 0.55 0.55 0.24 -0.76 -0.31 0.00 0.00 175.10 175.36 1n88 s LEU 13 N 0.01 4.84 -0.28 1.32 2.01 -1.26 -4.85 118.68 120.46 1n88 s LEU 13 Ca -0.05 -0.95 -0.24 0.00 0.01 0.00 0.00 54.13 52.90 1n88 s LEU 13 Cb -0.14 -2.07 0.11 0.00 0.01 0.00 0.00 46.19 44.10 1n88 s LEU 13 CO 0.04 -0.40 0.94 -0.44 1.01 0.00 0.00 176.35 177.50 1n88 s SER 14 N 1.60 -0.54 0.28 2.29 0.01 -1.26 -5.01 113.70 111.06 1n88 s SER 14 Ca 0.03 1.02 -0.01 0.00 1.31 0.00 0.00 55.95 58.30 1n88 s SER 14 Cb -0.19 1.06 0.65 0.00 0.21 0.00 0.00 66.02 67.75 1n88 s SER 14 CO 0.08 -0.17 1.61 -0.33 0.41 0.00 0.00 173.24 174.83 1n88 h GLU 15 N 4.72 0.08 0.00 12.44 5.08 -1.98 2.07 114.58 137.00 1n88 h GLU 15 Ca -0.28 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1n88 h GLU 15 Cb 1.18 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1n88 h GLU 15 CO 0.11 0.05 0.24 -0.22 -1.00 0.00 0.00 179.01 178.19 1n88 h LYS 16 N 0.08 0.00 0.00 2.33 3.64 -1.98 0.15 116.57 120.80 1n88 h LYS 16 Ca 0.53 0.00 -0.43 0.00 -1.27 0.00 0.00 60.65 59.48 1n88 h LYS 16 Cb 1.05 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.81 1n88 h LYS 16 CO -0.78 0.00 -2.43 0.00 -2.27 0.00 0.00 179.45 173.97 1n88 n ALA 17 N -1.82 1.35 -0.19 5.00 0.00 0.69 -4.02 120.51 121.52 1n88 n ALA 17 Ca -0.02 -1.02 -0.05 0.00 0.00 0.00 0.00 53.44 52.35 1n88 n ALA 17 Cb 0.28 0.16 0.05 0.00 0.00 0.00 0.00 19.45 19.94 1n88 n ALA 17 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1n88 h TYR 18 N -0.90 0.64 0.00 0.00 0.05 -0.64 1.72 116.97 117.83 1n88 h TYR 18 Ca -0.65 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.15 1n88 h TYR 18 Cb 1.57 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 39.11 1n88 h TYR 18 CO -0.08 0.36 0.00 0.00 -1.05 0.00 0.00 178.16 177.39 1n88 n ALA 19 N -2.29 1.28 -0.11 3.88 0.00 0.48 -1.46 120.51 122.28 1n88 n ALA 19 Ca 0.05 0.08 -0.18 0.00 0.00 0.00 0.00 53.44 53.38 1n88 n ALA 19 Cb 0.08 -1.23 -0.12 0.00 0.00 0.00 0.00 19.45 18.18 1n88 n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n88 n GLY 20 N -0.84 -0.41 0.42 0.00 0.00 0.13 -3.97 105.19 100.52 1n88 n GLY 20 Ca 0.01 -0.19 0.22 0.00 0.00 0.00 0.00 46.02 46.06 1n88 n GLY 20 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1n88 h PHE 21 N 0.01 0.00 -1.81 1.61 -1.00 0.35 -0.56 116.94 115.53 1n88 h PHE 21 Ca -0.56 0.00 0.55 0.00 2.81 0.00 0.00 57.97 60.77 1n88 h PHE 21 Cb 1.93 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 41.39 1n88 h PHE 21 CO 0.03 0.00 1.28 0.00 -1.61 0.00 0.00 178.31 178.01 1n88 h ALA 22 N 1.27 3.59 -0.02 2.45 0.00 -1.56 2.16 119.26 127.15 1n88 h ALA 22 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1n88 h ALA 22 Cb 1.50 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.47 1n88 h ALA 22 CO -0.00 -2.19 -0.10 -1.91 0.00 0.00 0.00 179.25 175.05 1n88 n GLU 23 N -4.16 1.63 0.00 0.00 4.07 -0.22 -4.93 120.64 117.03 1n88 n GLU 23 Ca 0.43 -1.43 0.00 0.00 -0.06 0.00 0.00 57.16 56.10 1n88 n GLU 23 Cb 1.89 -1.36 0.00 0.00 -0.06 0.00 0.00 31.44 31.92 1n88 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1n88 n GLY 24 N 1.12 1.04 3.72 8.31 0.00 0.73 -4.50 105.19 115.62 1n88 n GLY 24 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1n88 n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n88 s LYS 25 N -0.82 4.54 -0.25 1.61 1.02 -1.23 -2.66 119.74 121.94 1n88 s LYS 25 Ca 0.00 1.22 0.00 0.00 0.02 0.00 0.00 55.97 57.21 1n88 s LYS 25 Cb 0.00 -3.43 0.07 0.00 -0.52 0.00 0.00 37.83 33.95 1n88 s LYS 25 CO 0.00 0.08 -0.02 0.71 -0.92 0.00 0.00 175.35 175.20 1n88 s TYR 26 N 0.60 2.28 -0.13 3.18 2.02 0.32 -3.36 117.35 122.27 1n88 s TYR 26 Ca 0.45 -1.76 -0.29 0.00 -0.37 0.00 0.00 57.07 55.10 1n88 s TYR 26 Cb -0.20 -1.64 -0.02 0.00 -0.40 0.00 0.00 41.96 39.69 1n88 s TYR 26 CO 0.25 -0.78 1.22 0.99 -1.57 0.00 0.00 175.55 175.65 1n88 s THR 27 N 1.43 4.32 0.33 -0.71 2.01 -1.15 0.34 115.64 122.20 1n88 s THR 27 Ca -0.02 1.61 0.09 0.00 0.31 0.00 0.00 61.69 63.68 1n88 s THR 27 Cb -0.19 -4.04 -0.05 0.00 0.01 0.00 0.00 72.50 68.23 1n88 s THR 27 CO -0.09 -0.09 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.38 1n88 s PHE 28 N 3.01 2.53 -0.24 4.92 0.08 0.79 -2.01 117.98 127.05 1n88 s PHE 28 Ca 0.54 -0.41 -0.13 0.00 0.12 0.00 0.00 56.93 57.05 1n88 s PHE 28 Cb -0.22 -1.41 -0.04 0.00 -0.57 0.00 0.00 43.02 40.77 1n88 s PHE 28 CO 0.16 0.52 0.28 -1.58 -0.10 0.00 0.00 175.22 174.50 1n88 s TRP 29 N -2.51 3.30 0.17 0.36 0.52 -0.43 0.95 118.94 121.30 1n88 s TRP 29 Ca 0.34 0.36 -0.13 0.00 0.02 0.00 0.00 56.10 56.69 1n88 s TRP 29 Cb -0.01 -2.42 0.01 0.00 -1.15 0.00 0.00 33.47 29.90 1n88 s TRP 29 CO 0.19 -0.05 0.39 0.54 0.02 0.00 0.00 176.95 178.03 1n88 s VAL 30 N 1.46 0.05 0.31 4.03 0.11 -0.95 -2.56 120.40 122.85 1n88 s VAL 30 Ca 0.12 -1.06 -0.28 0.00 -2.93 0.00 0.00 61.98 57.84 1n88 s VAL 30 Cb -0.15 -1.65 -0.13 0.00 -1.53 0.00 0.00 36.38 32.92 1n88 s VAL 30 CO 0.08 -0.25 1.04 1.41 -3.33 0.00 0.00 175.10 174.05 1n88 n HIS 31 N -0.26 1.38 -1.87 1.54 8.25 -1.26 -3.52 115.22 119.48 1n88 n HIS 31 Ca -0.10 0.67 -0.36 0.00 -0.26 0.00 0.00 57.72 57.68 1n88 n HIS 31 Cb 0.63 -2.27 -0.05 0.00 1.12 0.00 0.00 29.99 29.42 1n88 n HIS 31 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1n88 n PRO 32 N 0.64 1.90 0.00 -0.41 -0.04 -1.26 -2.99 135.00 132.83 1n88 n PRO 32 Ca 0.09 -2.43 0.00 0.00 -0.04 0.00 0.00 63.50 61.12 1n88 n PRO 32 Cb 0.33 -3.44 0.00 0.00 -0.04 0.00 0.00 33.50 30.35 1n88 n PRO 32 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1n88 n LYS 33 N 7.80 0.00 -1.43 0.54 2.85 -1.26 -5.00 118.16 121.66 1n88 n LYS 33 Ca 0.47 0.00 -0.49 0.00 -1.05 0.00 0.00 58.31 57.24 1n88 n LYS 33 Cb 0.44 0.00 -0.09 0.00 -0.65 0.00 0.00 35.03 34.74 1n88 n LYS 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1n88 n ALA 34 N 0.00 0.79 -1.73 0.58 0.00 -1.16 -4.86 120.51 114.13 1n88 n ALA 34 Ca 0.00 -0.14 -0.38 0.00 0.00 0.00 0.00 53.44 52.92 1n88 n ALA 34 Cb 0.00 -2.50 0.05 0.00 0.00 0.00 0.00 19.45 17.00 1n88 n ALA 34 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1n88 n THR 35 N 7.21 4.15 -0.37 0.00 -2.24 -1.26 -4.60 114.28 117.16 1n88 n THR 35 Ca 0.47 -0.50 0.31 0.00 -2.27 0.00 0.00 64.05 62.06 1n88 n THR 35 Cb 0.19 -1.58 0.62 0.00 -2.10 0.00 0.00 70.33 67.46 1n88 n THR 35 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1n88 h LYS 36 N 1.11 0.19 0.03 -0.78 1.57 -1.89 0.40 116.57 117.21 1n88 h LYS 36 Ca -0.51 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.26 1n88 h LYS 36 Cb 1.32 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1n88 h LYS 36 CO 0.55 0.13 -0.01 1.15 -0.57 0.00 0.00 179.45 180.70 1n88 h THR 37 N 0.20 1.42 -0.79 -0.16 2.02 -1.88 -3.12 112.91 110.59 1n88 h THR 37 Ca 0.66 -1.66 0.09 0.00 0.77 0.00 0.00 66.41 66.27 1n88 h THR 37 Cb 2.08 2.49 -0.07 0.00 -1.74 0.00 0.00 68.15 70.90 1n88 h THR 37 CO -0.24 0.41 0.44 -0.33 0.37 0.00 0.00 175.52 176.17 1n88 h GLU 38 N -0.80 0.73 -0.32 6.66 5.08 -1.39 0.17 114.58 124.70 1n88 h GLU 38 Ca -0.00 -0.04 0.08 0.00 -1.00 0.00 0.00 59.36 58.39 1n88 h GLU 38 Cb 0.70 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1n88 h GLU 38 CO 0.01 0.48 0.23 0.82 -1.00 0.00 0.00 179.01 179.55 1n88 h ILE 39 N 0.75 0.87 -0.31 3.13 2.04 -1.07 -1.97 117.51 120.95 1n88 h ILE 39 Ca 0.38 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 66.20 1n88 h ILE 39 Cb 0.35 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1n88 h ILE 39 CO -0.25 0.01 0.14 0.50 0.00 0.00 0.00 178.15 178.55 1n88 h LYS 40 N 0.07 0.45 -0.55 2.37 3.64 -0.58 -2.96 116.57 119.00 1n88 h LYS 40 Ca 0.15 -0.07 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1n88 h LYS 40 Cb 0.51 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 1n88 h LYS 40 CO -0.01 0.44 0.36 -0.91 -2.27 0.00 0.00 179.45 177.06 1n88 h ASN 41 N 0.35 0.55 -0.02 4.20 2.35 -1.28 -1.18 115.58 120.56 1n88 h ASN 41 Ca 0.10 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 1n88 h ASN 41 Cb 0.14 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1n88 h ASN 41 CO -0.01 0.38 -0.05 0.00 -1.65 0.00 0.00 177.43 176.10 1n88 h ALA 42 N 1.68 0.03 -0.31 -0.83 0.00 -1.52 -3.11 119.26 115.20 1n88 h ALA 42 Ca 0.22 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.66 1n88 h ALA 42 Cb 0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1n88 h ALA 42 CO -0.06 -0.13 -0.39 -0.24 0.00 0.00 0.00 179.25 178.44 1n88 h VAL 43 N -0.53 1.29 -0.66 0.00 3.04 -1.44 -0.88 116.25 117.07 1n88 h VAL 43 Ca -0.00 -1.56 0.06 0.00 -1.01 0.00 0.00 66.70 64.19 1n88 h VAL 43 Cb 0.67 1.46 -0.06 0.00 -2.01 0.00 0.00 31.29 31.36 1n88 h VAL 43 CO 0.01 0.50 0.36 -0.33 -1.01 0.00 0.00 177.57 177.11 1n88 h GLU 44 N 0.60 0.65 0.07 4.17 4.39 -1.30 0.51 114.58 123.68 1n88 h GLU 44 Ca 0.05 -0.04 -0.12 0.00 0.34 0.00 0.00 59.36 59.59 1n88 h GLU 44 Cb 0.93 -0.15 0.01 0.00 -0.10 0.00 0.00 28.75 29.44 1n88 h GLU 44 CO 0.08 0.43 -0.53 1.79 -1.16 0.00 0.00 179.01 179.63 1n88 h THR 45 N 0.67 1.58 0.52 1.13 1.35 -1.49 -0.58 112.91 116.09 1n88 h THR 45 Ca 0.30 -2.37 -0.03 0.00 -0.55 0.00 0.00 66.41 63.76 1n88 h THR 45 Cb 0.19 3.13 0.01 0.00 -1.73 0.00 0.00 68.15 69.75 1n88 h THR 45 CO -0.19 0.66 -0.25 0.00 -0.25 0.00 0.00 175.52 175.49 1n88 h ALA 46 N 0.11 -0.70 -0.04 6.62 0.00 -0.99 -2.72 119.26 121.55 1n88 h ALA 46 Ca -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1n88 h ALA 46 Cb 1.37 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1n88 h ALA 46 CO 0.10 -0.83 0.00 1.19 0.00 0.00 0.00 179.25 179.71 1n88 n PHE 47 N -5.34 0.05 -4.25 0.00 3.01 0.18 -4.88 117.46 106.22 1n88 n PHE 47 Ca -0.12 -0.02 -0.36 0.00 1.01 0.00 0.00 57.45 57.95 1n88 n PHE 47 Cb 0.31 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 39.71 1n88 n PHE 47 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1n88 n LYS 48 N -0.48 -0.79 -1.04 -1.08 2.85 -0.25 -4.88 118.16 112.49 1n88 n LYS 48 Ca 0.17 0.12 0.00 0.00 -1.05 0.00 0.00 58.31 57.54 1n88 n LYS 48 Cb 0.16 -4.04 0.00 0.00 -0.65 0.00 0.00 35.03 30.51 1n88 n LYS 48 CO 0.00 0.00 0.00 1.55 -0.05 0.00 0.00 177.40 178.90 1n88 n VAL 49 N -3.88 0.00 -3.98 0.58 3.14 -1.08 -5.01 118.33 108.10 1n88 n VAL 49 Ca 0.00 0.00 -0.33 0.00 -2.96 0.00 0.00 64.34 61.06 1n88 n VAL 49 Cb 0.47 -0.23 -0.14 0.00 -1.06 0.00 0.00 33.84 32.88 1n88 n VAL 49 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1n88 s LYS 50 N -0.57 1.83 -0.22 1.45 2.36 -1.26 -4.74 119.74 118.58 1n88 s LYS 50 Ca 0.00 -1.69 -0.29 0.00 -2.55 0.00 0.00 55.97 51.44 1n88 s LYS 50 Cb 0.00 -3.20 0.00 0.00 -1.05 0.00 0.00 37.83 33.58 1n88 s LYS 50 CO 0.00 -0.85 1.12 0.08 1.55 0.00 0.00 175.35 177.25 1n88 s VAL 51 N 1.02 4.53 -1.78 4.02 1.01 -1.26 -2.57 120.40 125.36 1n88 s VAL 51 Ca 0.05 1.84 0.21 0.00 0.00 0.00 0.00 61.98 64.08 1n88 s VAL 51 Cb -0.20 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 1n88 s VAL 51 CO -0.06 -0.19 1.02 0.55 0.00 0.00 0.00 175.10 176.41 1n88 n VAL 52 N 5.40 0.00 0.00 2.92 3.14 0.65 -4.85 118.33 125.59 1n88 n VAL 52 Ca 0.13 -0.23 0.00 0.00 -2.96 0.00 0.00 64.34 61.27 1n88 n VAL 52 Cb 0.46 1.21 0.00 0.00 -1.06 0.00 0.00 33.84 34.45 1n88 n VAL 52 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1n88 n LYS 53 N -0.26 0.00 -4.11 1.45 5.02 -1.01 -4.95 118.16 114.30 1n88 n LYS 53 Ca 0.08 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 56.02 1n88 n LYS 53 Cb 0.43 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.31 1n88 n LYS 53 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1n88 s VAL 54 N 0.00 3.78 -0.19 -0.18 1.01 -1.26 0.11 120.40 123.67 1n88 s VAL 54 Ca 0.00 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.62 1n88 s VAL 54 Cb 0.00 -2.70 0.04 0.00 0.00 0.00 0.00 36.38 33.72 1n88 s VAL 54 CO 0.00 0.44 -0.13 0.20 0.00 0.00 0.00 175.10 175.60 1n88 s ASN 55 N 1.00 3.33 0.18 3.32 -0.87 0.79 -4.81 114.94 117.89 1n88 s ASN 55 Ca 0.01 -0.82 0.07 0.00 -1.57 0.00 0.00 52.86 50.55 1n88 s ASN 55 Cb -0.14 -1.32 -0.04 0.00 -0.02 0.00 0.00 41.25 39.73 1n88 s ASN 55 CO 0.01 -0.10 0.03 0.42 -2.57 0.00 0.00 177.10 174.89 1n88 s THR 56 N 1.35 3.82 0.05 1.60 -4.23 -1.25 0.28 115.64 117.27 1n88 s THR 56 Ca 0.00 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1n88 s THR 56 Cb -0.15 -2.95 -0.03 0.00 1.34 0.00 0.00 72.50 70.71 1n88 s THR 56 CO -0.09 -0.15 -0.04 -1.48 -0.54 0.00 0.00 174.62 172.32 1n88 s LEU 57 N -3.07 2.42 -0.13 4.79 2.34 0.16 -4.90 118.68 120.29 1n88 s LEU 57 Ca 0.28 -0.85 -0.29 0.00 0.06 0.00 0.00 54.13 53.33 1n88 s LEU 57 Cb -0.09 0.08 -0.01 0.00 -0.56 0.00 0.00 46.19 45.60 1n88 s LEU 57 CO 0.20 -0.47 1.14 -2.28 -1.06 0.00 0.00 176.35 173.88 1n88 s HIS 58 N -3.09 3.21 -0.08 3.48 2.46 -1.26 0.11 115.29 120.11 1n88 s HIS 58 Ca 0.02 1.30 0.05 0.00 0.47 0.00 0.00 55.06 56.90 1n88 s HIS 58 Cb 0.02 -3.36 -0.01 0.00 -0.13 0.00 0.00 32.58 29.10 1n88 s HIS 58 CO -0.06 -1.00 -0.24 0.14 -2.47 0.00 0.00 174.74 171.11 1n88 s VAL 59 N 2.69 2.02 -0.20 0.89 -7.23 0.74 -4.87 120.40 114.45 1n88 s VAL 59 Ca 0.51 -1.03 -0.03 0.00 -1.81 0.00 0.00 61.98 59.63 1n88 s VAL 59 Cb -0.21 -1.73 0.06 0.00 0.56 0.00 0.00 36.38 35.07 1n88 s VAL 59 CO 0.16 0.56 0.05 -0.13 -0.31 0.00 0.00 175.10 175.43 1n88 s ARG 60 N 0.09 0.50 0.57 4.82 3.00 -1.26 -2.21 118.95 124.46 1n88 s ARG 60 Ca -0.11 -0.38 0.00 0.00 0.00 0.00 0.00 55.73 55.24 1n88 s ARG 60 Cb -0.16 -2.01 0.00 0.00 0.00 0.00 0.00 34.95 32.78 1n88 s ARG 60 CO 0.06 -0.68 0.00 0.41 0.00 0.00 0.00 175.30 175.09 1n88 n GLY 61 N 5.10 -4.43 1.02 -3.53 0.00 -1.26 -4.84 105.19 97.26 1n88 n GLY 61 Ca -0.08 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1n88 n GLY 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1n88 n LYS 62 N -1.66 0.00 -0.06 1.61 3.00 -1.26 -5.01 118.16 114.78 1n88 n LYS 62 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 1n88 n LYS 62 Cb 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.21 1n88 n LYS 62 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1n88 n LYS 63 N -2.17 0.40 -0.41 1.64 4.76 -1.26 -4.53 118.16 116.58 1n88 n LYS 63 Ca 0.00 0.16 0.35 0.00 -2.87 0.00 0.00 58.31 55.95 1n88 n LYS 63 Cb 0.00 -1.19 0.62 0.00 -1.84 0.00 0.00 35.03 32.62 1n88 n LYS 63 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 1n88 h LYS 64 N -0.73 0.08 0.10 1.97 3.64 -2.00 0.10 116.57 119.73 1n88 h LYS 64 Ca -0.11 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1n88 h LYS 64 Cb 0.89 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.64 1n88 h LYS 64 CO -0.07 0.05 -0.42 0.00 -2.27 0.00 0.00 179.45 176.74 1n88 h ARG 65 N 0.08 -0.62 -3.92 1.90 3.08 -1.87 -3.47 114.38 109.57 1n88 h ARG 65 Ca 0.83 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.92 1n88 h ARG 65 Cb 2.44 0.14 0.00 0.00 0.08 0.00 0.00 29.97 32.63 1n88 h ARG 65 CO -0.53 -0.41 -0.94 -0.11 -1.07 0.00 0.00 179.97 176.91 1n88 n LEU 66 N -5.46 -3.96 0.00 3.04 -0.00 0.36 -4.21 117.00 106.76 1n88 n LEU 66 Ca -0.07 3.18 0.00 0.00 -0.00 0.00 0.00 56.01 59.12 1n88 n LEU 66 Cb 0.38 -3.10 0.00 0.00 -0.00 0.00 0.00 43.42 40.69 1n88 n LEU 66 CO 0.19 0.02 0.00 0.61 -0.00 0.00 0.00 177.39 178.20 1n88 n GLY 67 N -0.32 -0.19 3.07 -3.96 0.00 -1.26 -4.53 105.19 98.00 1n88 n GLY 67 Ca 0.00 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 1n88 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n88 n ARG 68 N -0.45 -0.26 -1.52 1.61 1.74 -1.26 -4.65 116.66 111.87 1n88 n ARG 68 Ca 0.00 -0.07 -0.51 0.00 -0.77 0.00 0.00 57.85 56.50 1n88 n ARG 68 Cb 0.00 -1.17 -0.05 0.00 -1.02 0.00 0.00 32.46 30.23 1n88 n ARG 68 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1n88 n TYR 69 N -3.37 0.79 -2.66 -1.55 9.36 -1.26 -4.86 117.16 113.62 1n88 n TYR 69 Ca -0.01 0.83 -0.02 0.00 3.32 0.00 0.00 57.90 62.01 1n88 n TYR 69 Cb 0.67 -2.17 0.11 0.00 -0.63 0.00 0.00 39.34 37.32 1n88 n TYR 69 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1n88 n LEU 70 N 1.88 -1.36 0.00 2.98 4.77 -1.26 -5.06 117.00 118.95 1n88 n LEU 70 Ca 0.17 -3.01 0.00 0.00 -0.03 0.00 0.00 56.01 53.14 1n88 n LEU 70 Cb 0.21 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1n88 n LEU 70 CO 0.60 1.66 0.00 0.61 -1.33 0.00 0.00 177.39 178.93 1n88 n GLY 71 N -1.31 2.07 3.22 -0.72 0.00 -1.26 -4.81 105.19 102.38 1n88 n GLY 71 Ca -0.15 -0.44 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 1n88 n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n88 s LYS 72 N 1.73 1.25 -0.47 1.61 1.02 -1.26 -5.09 119.74 118.53 1n88 s LYS 72 Ca 0.00 -0.89 -0.08 0.00 0.02 0.00 0.00 55.97 55.02 1n88 s LYS 72 Cb 0.00 -1.34 0.12 0.00 -0.52 0.00 0.00 37.83 36.09 1n88 s LYS 72 CO 0.00 0.34 0.33 1.03 -0.92 0.00 0.00 175.35 176.13 1n88 s ARG 73 N -1.17 2.42 0.00 1.68 0.52 -1.26 -4.60 118.95 116.54 1n88 s ARG 73 Ca 0.06 -1.79 0.00 0.00 -0.52 0.00 0.00 55.73 53.48 1n88 s ARG 73 Cb -0.09 -3.88 0.00 0.00 0.52 0.00 0.00 34.95 31.50 1n88 s ARG 73 CO 0.02 -1.18 0.00 -0.35 0.02 0.00 0.00 175.30 173.81 1n88 n PRO 74 N 4.84 0.14 -3.78 3.54 -0.04 -1.26 -4.87 135.00 133.57 1n88 n PRO 74 Ca -0.07 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.05 1n88 n PRO 74 Cb 0.41 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.76 1n88 n PRO 74 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1n88 s ASP 75 N -1.35 5.00 0.09 3.54 2.15 -1.26 -4.56 116.67 120.28 1n88 s ASP 75 Ca 0.00 -2.98 0.10 0.00 0.43 0.00 0.00 52.55 50.10 1n88 s ASP 75 Cb 0.00 -1.79 -0.03 0.00 -0.30 0.00 0.00 42.92 40.79 1n88 s ASP 75 CO 0.00 -0.31 -0.26 -0.60 -0.17 0.00 0.00 175.17 173.83 1n88 s ARG 76 N -0.25 1.50 0.01 4.34 6.06 -0.94 -4.54 118.95 125.14 1n88 s ARG 76 Ca 0.18 -1.21 0.08 0.00 -2.50 0.00 0.00 55.73 52.27 1n88 s ARG 76 Cb -0.21 -1.84 -0.02 0.00 0.06 0.00 0.00 34.95 32.94 1n88 s ARG 76 CO -0.03 0.45 -0.24 -1.59 -2.50 0.00 0.00 175.30 171.39 1n88 s LYS 77 N -1.69 1.78 0.09 5.12 -2.85 -1.23 0.26 119.74 121.22 1n88 s LYS 77 Ca 0.12 -0.93 0.01 0.00 -1.00 0.00 0.00 55.97 54.16 1n88 s LYS 77 Cb -0.10 -1.82 -0.04 0.00 -2.06 0.00 0.00 37.83 33.82 1n88 s LYS 77 CO 0.04 0.48 0.21 0.15 0.10 0.00 0.00 175.35 176.33 1n88 s LYS 78 N -0.86 3.35 -0.19 1.78 1.02 0.30 -2.25 119.74 122.89 1n88 s LYS 78 Ca 0.09 -0.52 0.01 0.00 0.02 0.00 0.00 55.97 55.57 1n88 s LYS 78 Cb -0.09 -2.97 0.02 0.00 -0.52 0.00 0.00 37.83 34.27 1n88 s LYS 78 CO 0.00 0.58 -0.18 0.00 -0.92 0.00 0.00 175.35 174.83 1n88 s ALA 79 N -1.55 2.38 -0.41 5.17 0.00 0.27 0.36 121.76 127.97 1n88 s ALA 79 Ca 0.34 -1.26 -0.18 0.00 0.00 0.00 0.00 51.96 50.87 1n88 s ALA 79 Cb -0.12 -1.24 0.02 0.00 0.00 0.00 0.00 23.12 21.77 1n88 s ALA 79 CO 0.27 -0.42 0.46 0.42 0.00 0.00 0.00 175.76 176.49 1n88 s ILE 80 N 1.29 5.06 -0.23 0.00 1.01 0.79 0.28 121.20 129.39 1n88 s ILE 80 Ca 0.04 -0.21 -0.11 0.00 0.00 0.00 0.00 60.65 60.38 1n88 s ILE 80 Cb -0.14 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 1n88 s ILE 80 CO -0.12 -0.40 0.16 -0.69 0.00 0.00 0.00 174.94 173.89 1n88 s VAL 81 N 2.23 5.36 -0.03 2.92 1.01 0.15 0.28 120.40 132.32 1n88 s VAL 81 Ca 0.14 0.20 -0.00 0.00 0.00 0.00 0.00 61.98 62.32 1n88 s VAL 81 Cb -0.17 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 1n88 s VAL 81 CO 0.14 0.36 0.02 -1.58 0.00 0.00 0.00 175.10 174.04 1n88 s GLN 82 N 0.94 2.92 0.22 2.72 2.00 0.30 0.12 119.66 128.87 1n88 s GLN 82 Ca 0.08 -0.51 0.10 0.00 -2.00 0.00 0.00 55.36 53.03 1n88 s GLN 82 Cb -0.13 -2.76 -0.04 0.00 0.80 0.00 0.00 33.01 30.88 1n88 s GLN 82 CO 0.03 0.66 -0.09 0.14 -0.50 0.00 0.00 175.29 175.53 1n88 s VAL 83 N -1.04 3.13 1.23 1.34 -7.23 -1.09 0.24 120.40 116.98 1n88 s VAL 83 Ca 0.18 -1.85 -0.19 0.00 -1.81 0.00 0.00 61.98 58.30 1n88 s VAL 83 Cb -0.12 -2.60 0.29 0.00 0.56 0.00 0.00 36.38 34.52 1n88 s VAL 83 CO 0.08 -0.23 1.08 0.00 -0.31 0.00 0.00 175.10 175.72 1n88 s ALA 84 N -2.00 0.37 0.33 1.32 0.00 -1.06 -4.68 121.76 116.04 1n88 s ALA 84 Ca 0.27 -0.87 -0.28 0.00 0.00 0.00 0.00 51.96 51.09 1n88 s ALA 84 Cb -0.08 -2.92 -0.09 0.00 0.00 0.00 0.00 23.12 20.03 1n88 s ALA 84 CO 0.16 -3.72 1.11 -1.25 0.00 0.00 0.00 175.76 172.07 1n88 s PRO 85 N -5.29 4.43 0.00 0.00 0.04 -1.26 -3.48 135.00 129.44 1n88 s PRO 85 Ca 0.70 1.77 0.00 0.00 0.04 0.00 0.00 61.00 63.51 1n88 s PRO 85 Cb -0.11 -2.96 0.00 0.00 0.04 0.00 0.00 34.50 31.46 1n88 s PRO 85 CO 0.57 0.03 0.00 0.41 0.04 0.00 0.00 177.00 178.05 1n88 n GLY 86 N 0.90 2.19 3.84 0.56 0.00 -1.26 -5.06 105.19 106.36 1n88 n GLY 86 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1n88 n GLY 86 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1n88 s GLN 87 N -0.18 2.23 0.00 1.61 0.00 -1.23 -5.14 119.66 116.96 1n88 s GLN 87 Ca 0.00 -2.13 0.00 0.00 -0.00 0.00 0.00 55.36 53.23 1n88 s GLN 87 Cb 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 33.01 31.12 1n88 s GLN 87 CO 0.00 -0.48 0.00 0.36 0.00 0.00 0.00 175.29 175.17 1n88 n LYS 88 N -1.54 0.00 -2.24 9.60 2.85 -1.26 -4.92 118.16 120.65 1n88 n LYS 88 Ca -0.08 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 56.83 1n88 n LYS 88 Cb 0.65 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.99 1n88 n LYS 88 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 1n88 s ILE 89 N 0.00 3.57 -0.55 0.58 1.01 -1.26 -4.78 121.20 119.78 1n88 s ILE 89 Ca 0.00 -0.20 0.24 0.00 0.00 0.00 0.00 60.65 60.69 1n88 s ILE 89 Cb 0.00 -4.36 0.26 0.00 0.01 0.00 0.00 42.46 38.36 1n88 s ILE 89 CO 0.00 -1.30 1.73 -1.84 0.00 0.00 0.00 174.94 173.53 1n88 n GLU 90 N 9.02 0.21 0.23 2.79 0.28 -1.26 -3.06 120.64 128.85 1n88 n GLU 90 Ca 0.28 0.37 0.18 0.00 -0.16 0.00 0.00 57.16 57.83 1n88 n GLU 90 Cb 0.49 -1.85 0.86 0.00 1.43 0.00 0.00 31.44 32.37 1n88 n GLU 90 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1n88 h ALA 91 N 2.34 1.67 0.00 -1.84 0.00 -2.01 -1.43 119.26 117.98 1n88 h ALA 91 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1n88 h ALA 91 Cb 0.46 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1n88 h ALA 91 CO 0.00 -0.34 -1.77 1.28 0.00 0.00 0.00 179.25 178.42 1n88 n LEU 92 N -3.51 0.00 0.18 0.00 4.77 -1.17 -4.05 117.00 113.22 1n88 n LEU 92 Ca 0.01 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.05 1n88 n LEU 92 Cb 0.36 0.10 0.54 0.00 -2.33 0.00 0.00 43.42 42.09 1n88 n LEU 92 CO 0.24 0.10 1.03 -0.33 -1.33 0.00 0.00 177.39 177.10 1n88 h GLU 93 N 0.00 0.14 -0.01 3.23 4.39 -1.33 -1.66 114.58 119.33 1n88 h GLU 93 Ca -0.11 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1n88 h GLU 93 Cb 1.04 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 1n88 h GLU 93 CO 0.01 0.16 -0.58 0.41 -1.16 0.00 0.00 179.01 177.84 1n88 n GLY 94 N -1.33 -0.31 0.07 -3.84 0.00 -1.12 -4.20 105.19 94.46 1n88 n GLY 94 Ca -0.01 -0.60 0.06 0.00 0.00 0.00 0.00 46.02 45.46 1n88 n GLY 94 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1n88 n LEU 95 N -0.48 0.25 0.00 0.99 7.94 -0.62 -5.14 117.00 119.93 1n88 n LEU 95 Ca 0.08 0.61 0.10 0.00 -1.11 0.00 0.00 56.01 55.69 1n88 n LEU 95 Cb 0.42 -0.62 0.58 0.00 0.53 0.00 0.00 43.42 44.32 1n88 n LEU 95 CO 0.32 -0.64 0.77 -0.38 -1.11 0.00 0.00 177.39 176.35